UCSF

ZINC43445407

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 11 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.31 -0.72 -39.55 3 3 1 40 161.269 7
Hi High (pH 8-9.5) -0.31 0.39 -34.42 3 3 1 37 161.269 7
Hi High (pH 8-9.5) -0.31 -2.09 -3.28 2 3 0 35 160.261 7
Mid Mid (pH 6-8) -0.31 1.74 -109.71 4 3 2 41 162.277 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )